Crystallography Open Database

Information card for entry 7246237

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Coordinates	7246237.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(2E,5E)-2-benzylidene-5-(2,3-dimethoxybenzylidene)cyclopentanone
Formula	C21 H20 O3
Calculated formula	C21 H20 O3
Title of publication	Acid catalyzed one-pot approach towards the synthesis of curcuminoid systems: unsymmetrical diarylidene cycloalkanones, exploration of their single crystals, optical and nonlinear optical properties
Authors of publication	Ali, Akbar; Din, Zia Ud; Ibrahim, Muhammad; Ashfaq, Muhammad; Muhammad, Shabbir; Gull, Dania; Tahir, Muhammad Nawaz; Rodrigues-Filho, Edson; Al-Sehemi, Abdullah G.; Suleman, Muhammad
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	7
Pages of publication	4476 - 4494
a	16.154 ± 0.002 Å
b	6.9813 ± 0.001 Å
c	28.997 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3270.2 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1123
Weighted residual factors for all reflections included in the refinement	0.1161
Goodness-of-fit parameter for all reflections included in the refinement	1.159
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
280776 (current)	2023-02-03	cif/ Adding structures of 7246236, 7246237 via cif-deposit CGI script.	7246237.cif